2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C16H25N3O2 — CID 83044088

IUPAC2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCCCC1CCCCN1c1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C16H25N3O2/c1-4-7-12-8-5-6-9-19(12)13-10-17-15(11(2)3)18-14(13)16(20)21/h10-12H,4-9H2,1-3H3,(H,20,21)
InChIKeySRQHRCJVNXAILM-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.46
Rot. Bonds5

About 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid

2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 83044088) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID83044088
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCCCC1CCCCN1c1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C16H25N3O2/c1-4-7-12-8-5-6-9-19(12)13-10-17-15(11(2)3)18-14(13)16(20)21/h10-12H,4-9H2,1-3H3,(H,20,21)
InChIKeySRQHRCJVNXAILM-UHFFFAOYSA-N
XLogP3.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 83044088) is 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid is CCCC1CCCCN1c1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is SRQHRCJVNXAILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-7-12-8-5-6-9-19(12)13-10-17-15(11(2)3)18-14(13)16(20)21/h10-12H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83044088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).